SCHEMBL5623819

SCHEMBL5623819

CC(c1ccccc1Cl)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
CNR1 P21554 2/20 0.38
LMNA P02545 3/20 0.38
GLA P06280 1/20 0.38
ACP3 P15309 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.37
AOC3 Q16853 1/20 0.37
VDR P11473 1/20 0.36
GLS O94925 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11523492 0.83 CYP1A2 (0.39) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL265448 0.79 LMNA (0.53) CYP2D6ALDH1A1GAALMNAKMT2A
SCHEMBL9630544 0.78 ACP3 (0.41) ADRB2ADRB1CYP3A4CYP1A2CYP2D6
SCHEMBL10898417 0.78 GABRA1 (0.54) CYP3A4CYP1A2CYP2D6NFKB1ALDH1A1
SCHEMBL8863993 0.78 HTT (0.40) CYP3A4CYP1A2ALDH1A1GAALMNA
SCHEMBL27496185 0.78 ALDH1A1 (0.53) CYP1A2ALDH1A1KMT2ATSHRMAPT
SCHEMBL5066149 0.77 ALDH1A1 (0.39) ADRB2ADRB1CYP2D6NFKB1NISCH
SCHEMBL943534 0.76 MAPT (0.40) CYP1A2ALDH1A1LMNAKMT2AHSP90AA1
SCHEMBL6029216 0.76 L3MBTL1 (0.43) ALDH1A1GAACNR1LMNAHPGD
SCHEMBL265334 0.76 ALDH1A1 (0.50) CYP3A4CYP1A2ALDH1A1GAALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058707-C Process for synthesis of d1-trans-4-phenyl-5-0-chlorobenzyl-pyrrolidone-2 KUNMING PLANTS INST CHINA ACAD (CN) 2000-11-22 CN claimed
US-11712680-B2 Process for reducing aromatic nitro compounds with supported catalyst KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-08-01 US disclosed
US-20220401927-A1 PROCESS FOR REDUCING AROMATIC NITRO COMPOUNDS WITH SUPPORTED CATALYST KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-12-22 US disclosed
US-11452992-B2 Iron oxide supported rhodium catalyst for nitroarene reduction KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-09-27 US disclosed
US-20200298212-A1 IRON OXIDE SUPPORTED RHODIUM CATALYST FOR NITROARENE REDUCTION KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-09-24 US disclosed
US-7288500-B2 Selective hydrogenation of nitro groups of halonitro aromatic compounds HEADWATERS TECHNOLOGY INNOVATION, LLC (US) 2007-10-30 US disclosed
US-20070049772-A1 Selective hydrogenation of nitro groups of halonitro aromatic compounds HEADWATERS HEAVY OIL, LLC 2007-03-01 US disclosed
EP-0842920-B1 Process for the production of aromatic halogen-amino compounds SYNGENTA PARTICIPATIONS AG (CH) 2004-04-07 EP disclosed
US-6197716-B1 AS HYDROGENATION CATALYST IN HYDROGENATION OF AROMATIC HALONITRO COMPOUNDS TO AROMATIC HALOAMINO COMPOUNDS NOVARTIS AG (CH) 2001-03-06 US disclosed
CN-1058707-C Process for synthesis of d1-trans-4-phenyl-5-0-chlorobenzyl-pyrrolidone-2 KUNMING PLANTS INST CHINA ACAD (CN) 2000-11-22 CN disclosed
EP-0842920-A2 Process for the production of aromatic halogen-amino compounds Novartis AG (CH) 1998-05-20 EP disclosed
US-4020107-A ACIDIC PHOSPHORUS COMPOUND DEHALOGENATION INHIBITOR E. I. DU PONT DE NEMOURS AND CO. (US) 1977-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11712680-B2 Process for reducing aromatic nitro compounds with supported catalyst ARG2, NDUFS5, NDUFS7 ADRB2 309/4885ADRB1 395/4885CYP3A4 587/4885
US-20220401927-A1 PROCESS FOR REDUCING AROMATIC NITRO COMPOUNDS WITH SUPPORTED CATALYST ARG2, NDUFS5, NDUFS7 ADRB2 309/4885ADRB1 395/4885CYP3A4 587/4885
US-11452992-B2 Iron oxide supported rhodium catalyst for nitroarene reduction ARG2, NOS2, NDUFS7 ADRB2 247/4885ADRB1 396/4885CYP3A4 1219/4885
US-20200298212-A1 IRON OXIDE SUPPORTED RHODIUM CATALYST FOR NITROARENE REDUCTION ARG2, NOS2, NDUFS7 ADRB2 247/4885ADRB1 396/4885CYP3A4 1219/4885
US-20070049772-A1 Selective hydrogenation of nitro groups of halonitro aromatic compounds NOXO1, PYM1, HCN4 ADRB2 342/4885ADRB1 349/4885CYP3A4 251/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.